#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 s GLN 2 N 0.00 0.18 0.43 3.17 0.74 -1.26 -5.13 119.66 117.79 1m58 s GLN 2 Ca 0.00 0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.66 1m58 s GLN 2 Cb 0.00 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.16 1m58 s GLN 2 CO 0.00 -0.03 0.07 1.21 -0.55 0.00 0.00 175.29 175.99 1m58 s ASN 3 N 0.14 3.25 0.61 6.67 3.04 -1.26 -4.97 114.94 122.41 1m58 s ASN 3 Ca -0.00 -1.61 0.33 0.00 0.04 0.00 0.00 52.86 51.61 1m58 s ASN 3 Cb -0.02 0.38 1.92 0.00 -1.54 0.00 0.00 41.25 42.00 1m58 s ASN 3 CO -0.00 -0.84 2.23 -0.25 -3.04 0.00 0.00 177.10 175.20 1m58 h TRP 4 N 1.68 0.00 0.53 0.43 -0.00 -1.88 -1.75 115.95 114.96 1m58 h TRP 4 Ca -0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.47 1m58 h TRP 4 Cb 1.28 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.45 1m58 h TRP 4 CO 1.35 0.00 -0.25 0.93 -0.00 0.00 0.00 178.44 180.46 1m58 h GLU 5 N 0.00 -0.69 -0.68 2.65 4.39 -1.95 0.17 114.58 118.48 1m58 h GLU 5 Ca 0.02 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1m58 h GLU 5 Cb 0.17 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1m58 h GLU 5 CO -0.00 -0.46 0.43 1.15 -1.16 0.00 0.00 179.01 178.97 1m58 h THR 6 N -1.01 1.19 0.59 1.13 2.02 -1.92 -2.05 112.91 112.85 1m58 h THR 6 Ca -0.07 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1m58 h THR 6 Cb 0.55 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1m58 h THR 6 CO 0.12 0.19 -0.28 0.15 0.37 0.00 0.00 175.52 176.06 1m58 h PHE 7 N 0.92 -0.73 -0.21 3.16 3.04 -1.38 -2.35 116.94 119.38 1m58 h PHE 7 Ca 0.25 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.24 1m58 h PHE 7 Cb -0.06 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1m58 h PHE 7 CO -0.02 -0.43 0.32 0.37 -2.02 0.00 0.00 178.31 176.53 1m58 h GLN 8 N -0.86 0.00 0.25 1.11 4.15 -0.52 0.28 115.11 119.53 1m58 h GLN 8 Ca -0.08 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1m58 h GLN 8 Cb 0.63 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1m58 h GLN 8 CO 0.13 0.00 -0.12 0.87 -1.93 0.00 0.00 178.83 177.78 1m58 h LYS 9 N 0.00 -0.32 0.00 1.69 1.57 -0.84 -2.20 116.57 116.47 1m58 h LYS 9 Ca 0.10 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1m58 h LYS 9 Cb 0.74 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1m58 h LYS 9 CO -0.00 -0.08 -0.66 0.87 -0.57 0.00 0.00 179.45 179.01 1m58 h LYS 10 N -1.03 0.00 0.13 3.15 1.57 -1.24 -3.36 116.57 115.79 1m58 h LYS 10 Ca -0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 1m58 h LYS 10 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1m58 h LYS 10 CO 0.06 0.39 -1.88 0.45 -0.57 0.00 0.00 179.45 177.90 1m58 h HIS 11 N 0.00 0.51 -2.00 -1.35 3.86 -0.60 -3.42 115.15 112.15 1m58 h HIS 11 Ca -0.03 -0.37 -0.51 0.00 -1.16 0.00 0.00 60.37 58.30 1m58 h HIS 11 Cb 1.37 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.77 1m58 h HIS 11 CO 0.00 1.67 -0.50 -0.51 0.86 0.00 0.00 177.93 179.46 1m58 s LEU 12 N -7.03 3.63 0.22 2.43 1.02 -0.83 0.05 118.68 118.17 1m58 s LEU 12 Ca -0.18 -0.43 -0.01 0.00 0.02 0.00 0.00 54.13 53.52 1m58 s LEU 12 Cb 0.06 -2.20 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1m58 s LEU 12 CO 0.80 -0.21 0.18 -0.89 0.02 0.00 0.00 176.35 176.25 1m58 s THR 13 N -2.25 0.00 -0.06 5.49 2.01 0.20 -4.58 115.64 116.45 1m58 s THR 13 Ca 0.37 -1.94 0.11 0.00 0.31 0.00 0.00 61.69 60.54 1m58 s THR 13 Cb -0.06 -2.48 -0.16 0.00 0.01 0.00 0.00 72.50 69.81 1m58 s THR 13 CO 0.25 0.00 0.16 -0.90 -0.69 0.00 0.00 174.62 173.44 1m58 n ASP 14 N -0.40 2.29 -4.88 3.53 5.75 -1.26 -3.87 116.55 117.70 1m58 n ASP 14 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.50 1m58 n ASP 14 Cb 0.65 1.20 -0.04 0.00 -1.03 0.00 0.00 41.12 41.90 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1m58 s THR 15 N -2.57 5.13 -0.39 2.12 -4.23 -1.26 -4.97 115.64 109.47 1m58 s THR 15 Ca -0.05 -0.58 0.22 0.00 -1.18 0.00 0.00 61.69 60.11 1m58 s THR 15 Cb 0.06 -3.53 -0.19 0.00 1.34 0.00 0.00 72.50 70.17 1m58 s THR 15 CO 0.47 0.08 0.81 0.54 -0.54 0.00 0.00 174.62 175.98 1m58 n ARG 16 N 0.12 0.44 -1.17 3.99 1.74 -1.26 -4.18 116.66 116.35 1m58 n ARG 16 Ca -0.06 -0.06 -0.26 0.00 -0.77 0.00 0.00 57.85 56.70 1m58 n ARG 16 Cb 0.52 -1.59 0.12 0.00 -1.02 0.00 0.00 32.46 30.49 1m58 n ARG 16 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1m58 n ASP 17 N -2.12 5.41 -4.44 0.55 9.92 -1.26 -5.01 116.55 119.60 1m58 n ASP 17 Ca -0.00 -3.54 -0.34 0.00 -0.53 0.00 0.00 54.79 50.38 1m58 n ASP 17 Cb 0.49 -0.89 0.11 0.00 -0.64 0.00 0.00 41.12 40.19 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1m58 n VAL 18 N -0.84 0.51 -3.92 2.53 0.31 -1.26 -5.02 118.33 110.64 1m58 n VAL 18 Ca 0.55 -0.24 -0.24 0.00 -0.01 0.00 0.00 64.34 64.41 1m58 n VAL 18 Cb 1.14 -0.68 -0.05 0.00 -0.91 0.00 0.00 33.84 33.34 1m58 n VAL 18 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1m58 s LYS 19 N -3.47 2.33 -0.01 5.55 -0.14 -1.26 -5.08 119.74 117.67 1m58 s LYS 19 Ca 0.60 -1.76 -0.00 0.00 -1.36 0.00 0.00 55.97 53.44 1m58 s LYS 19 Cb -0.25 -2.12 -0.00 0.00 -1.68 0.00 0.00 37.83 33.78 1m58 s LYS 19 CO 0.64 -0.19 -0.01 0.00 -0.76 0.00 0.00 175.35 175.03 1m58 h ASP 21 N -0.02 0.34 0.13 0.00 3.04 -1.90 -2.43 116.42 115.58 1m58 h ASP 21 Ca -0.02 -0.87 -0.24 0.00 -3.24 0.00 0.00 57.03 52.65 1m58 h ASP 21 Cb 1.03 -0.11 0.03 0.00 -1.04 0.00 0.00 39.33 39.23 1m58 h ASP 21 CO -0.01 1.18 -1.03 0.00 -2.04 0.00 0.00 179.24 177.35 1m58 h ALA 22 N 0.17 -0.05 -0.15 4.15 0.00 -1.88 -2.68 119.26 118.82 1m58 h ALA 22 Ca -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 1m58 h ALA 22 Cb 1.30 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1m58 h ALA 22 CO 0.09 0.52 -0.01 1.49 0.00 0.00 0.00 179.25 181.35 1m58 h GLU 23 N -0.03 0.27 -0.48 0.00 4.22 -1.76 -3.07 114.58 113.74 1m58 h GLU 23 Ca -0.16 -0.09 -0.05 0.00 0.08 0.00 0.00 59.36 59.13 1m58 h GLU 23 Cb 1.76 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1m58 h GLU 23 CO 0.20 0.51 0.07 1.98 -2.18 0.00 0.00 179.01 179.59 1m58 h MET 24 N 0.00 0.75 -0.58 1.92 4.05 -1.56 -2.55 114.93 116.96 1m58 h MET 24 Ca 0.04 -0.16 0.17 0.00 -0.28 0.00 0.00 59.70 59.47 1m58 h MET 24 Cb 0.39 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 1m58 h MET 24 CO 0.01 0.71 0.51 -0.22 0.23 0.00 0.00 176.91 178.15 1m58 h LYS 25 N 0.72 0.00 -7.16 0.39 3.64 -1.37 0.46 116.57 113.25 1m58 h LYS 25 Ca 0.15 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.02 1m58 h LYS 25 Cb 0.33 0.00 0.20 0.00 -0.41 0.00 0.00 32.23 32.36 1m58 h LYS 25 CO 0.01 0.00 0.04 1.17 -2.27 0.00 0.00 179.45 178.39 1m58 n LYS 26 N -3.95 -0.54 0.29 1.90 3.00 -0.96 -4.20 118.16 113.70 1m58 n LYS 26 Ca 0.11 -0.10 0.18 0.00 -0.00 0.00 0.00 58.31 58.50 1m58 n LYS 26 Cb 0.74 -2.26 0.99 0.00 0.00 0.00 0.00 35.03 34.50 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1m58 h ALA 27 N -1.88 1.41 -0.99 3.14 0.00 -1.89 0.77 119.26 119.83 1m58 h ALA 27 Ca -0.44 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.61 1m58 h ALA 27 Cb 1.28 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1m58 h ALA 27 CO 0.40 -0.09 0.61 1.25 0.00 0.00 0.00 179.25 181.42 1m58 h LEU 28 N 0.00 0.86 0.00 0.00 5.85 -1.88 -3.31 115.31 116.83 1m58 h LEU 28 Ca 0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1m58 h LEU 28 Cb 0.17 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1m58 h LEU 28 CO -0.00 0.42 -0.84 0.49 -0.34 0.00 0.00 178.44 178.17 1m58 n PHE 29 N -4.67 0.00 -3.22 1.25 3.72 -0.82 -5.04 117.46 108.67 1m58 n PHE 29 Ca 0.20 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.44 1m58 n PHE 29 Cb 0.41 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.01 1m58 n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1m58 n ASP 30 N -1.77 -4.18 -3.66 4.37 8.00 0.26 -2.88 116.55 116.69 1m58 n ASP 30 Ca 0.00 -0.41 -0.22 0.00 0.71 0.00 0.00 54.79 54.86 1m58 n ASP 30 Cb 0.42 -3.84 0.05 0.00 -0.02 0.00 0.00 41.12 37.73 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m58 s LYS 32 N -6.01 -2.96 -0.12 0.00 -0.14 -1.14 -4.88 119.74 104.49 1m58 s LYS 32 Ca 0.22 0.21 -0.23 0.00 -1.36 0.00 0.00 55.97 54.81 1m58 s LYS 32 Cb -0.10 -1.37 -0.26 0.00 -1.68 0.00 0.00 37.83 34.42 1m58 s LYS 32 CO 0.78 -4.91 0.65 -0.56 -0.76 0.00 0.00 175.35 170.55 1m58 h GLN 33 N -3.45 0.12 -5.09 1.68 3.07 -1.93 -3.47 115.11 106.04 1m58 h GLN 33 Ca -0.45 -0.20 -0.35 0.00 0.09 0.00 0.00 58.65 57.74 1m58 h GLN 33 Cb 1.34 0.07 -0.18 0.00 0.08 0.00 0.00 27.48 28.80 1m58 h GLN 33 CO 0.30 1.10 -0.74 0.15 0.09 0.00 0.00 178.83 179.72 1m58 s LYS 34 N -2.35 0.88 -0.11 0.06 1.02 -1.26 -0.24 119.74 117.74 1m58 s LYS 34 Ca -0.20 -1.15 -0.23 0.00 0.02 0.00 0.00 55.97 54.41 1m58 s LYS 34 Cb 0.01 -0.64 0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1m58 s LYS 34 CO 0.72 0.11 0.55 1.21 -0.92 0.00 0.00 175.35 177.02 1m58 s ASN 35 N -2.37 -0.53 -0.32 2.83 3.04 -0.97 -4.98 114.94 111.64 1m58 s ASN 35 Ca 0.05 0.76 0.03 0.00 0.04 0.00 0.00 52.86 53.74 1m58 s ASN 35 Cb -0.04 0.75 0.10 0.00 -1.54 0.00 0.00 41.25 40.52 1m58 s ASN 35 CO 0.01 -0.40 0.05 -0.89 -3.04 0.00 0.00 177.10 172.83 1m58 s THR 36 N -0.59 1.90 0.14 -5.21 2.01 -1.26 -0.36 115.64 112.26 1m58 s THR 36 Ca -0.07 -2.02 0.02 0.00 0.31 0.00 0.00 61.69 59.93 1m58 s THR 36 Cb -0.03 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1m58 s THR 36 CO 0.05 -0.56 0.28 -0.36 -0.69 0.00 0.00 174.62 173.33 1m58 s PHE 37 N 1.11 3.49 0.18 4.92 0.08 -0.08 -4.43 117.98 123.25 1m58 s PHE 37 Ca 0.09 0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.32 1m58 s PHE 37 Cb -0.19 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1m58 s PHE 37 CO -0.12 0.52 -0.06 0.42 -0.10 0.00 0.00 175.22 175.89 1m58 s ILE 38 N -1.71 1.07 -0.28 0.64 1.01 0.11 -0.76 121.20 121.27 1m58 s ILE 38 Ca 0.35 -2.04 -0.00 0.00 0.00 0.00 0.00 60.65 58.95 1m58 s ILE 38 Cb -0.11 -2.06 0.05 0.00 0.01 0.00 0.00 42.46 40.35 1m58 s ILE 38 CO 0.28 -0.56 -0.04 -0.31 0.00 0.00 0.00 174.94 174.31 1m58 s TYR 39 N -3.39 3.25 0.00 3.97 2.02 -1.08 -0.63 117.35 121.49 1m58 s TYR 39 Ca 0.22 -1.98 0.00 0.00 -0.37 0.00 0.00 57.07 54.94 1m58 s TYR 39 Cb 0.04 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 1m58 s TYR 39 CO 0.04 -0.82 0.00 0.00 -1.57 0.00 0.00 175.55 173.20 1m58 n ALA 40 N 4.57 0.00 -2.65 3.71 0.00 -1.25 -4.60 120.51 120.30 1m58 n ALA 40 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1m58 n ALA 40 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 1m58 n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1m58 s ARG 41 N -2.00 3.27 0.29 0.00 1.81 -1.26 -4.68 118.95 116.37 1m58 s ARG 41 Ca 0.00 -0.78 0.13 0.00 -1.72 0.00 0.00 55.73 53.37 1m58 s ARG 41 Cb 0.00 -2.79 0.35 0.00 -0.45 0.00 0.00 34.95 32.06 1m58 s ARG 41 CO 0.00 0.16 1.59 -1.00 -0.68 0.00 0.00 175.30 175.36 1m58 h PRO 42 N 0.91 0.00 0.01 3.54 0.13 -1.98 -2.03 132.00 132.57 1m58 h PRO 42 Ca -0.48 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 1m58 h PRO 42 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1m58 h PRO 42 CO 0.57 0.58 -1.13 0.78 -0.23 0.00 0.00 178.00 178.57 1m58 h GLY 43 N 2.27 0.03 2.00 1.56 0.00 -1.99 -1.72 103.07 105.21 1m58 h GLY 43 Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1m58 h GLY 43 CO 0.08 0.06 -0.50 3.21 0.00 0.00 0.00 176.54 179.38 1m58 h ARG 44 N 0.01 0.00 0.04 4.80 3.08 -1.94 -3.22 114.38 117.14 1m58 h ARG 44 Ca -0.06 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.67 1m58 h ARG 44 Cb 1.82 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.83 1m58 h ARG 44 CO 0.13 0.50 -1.80 0.28 -1.07 0.00 0.00 179.97 178.00 1m58 n VAL 45 N -3.28 1.66 -0.32 2.04 0.31 -0.77 -4.08 118.33 113.89 1m58 n VAL 45 Ca 0.02 -0.75 0.01 0.00 -0.01 0.00 0.00 64.34 63.60 1m58 n VAL 45 Cb 0.70 -1.25 0.18 0.00 -0.91 0.00 0.00 33.84 32.57 1m58 n VAL 45 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1m58 h GLN 46 N 0.02 1.15 0.00 5.55 4.20 -1.37 -0.06 115.11 124.60 1m58 h GLN 46 Ca -0.33 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1m58 h GLN 46 Cb 2.02 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 29.54 1m58 h GLN 46 CO 0.08 0.76 -0.00 0.00 -0.67 0.00 0.00 178.83 179.00 1m58 h ALA 47 N 1.45 1.03 0.00 3.87 0.00 -1.70 0.67 119.26 124.58 1m58 h ALA 47 Ca 0.36 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1m58 h ALA 47 Cb -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1m58 h ALA 47 CO -0.10 0.00 -1.21 1.25 0.00 0.00 0.00 179.25 179.19 1m58 h LEU 48 N 0.00 0.00 -2.91 0.00 5.85 -1.19 -3.36 115.31 113.70 1m58 h LEU 48 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1m58 h LEU 48 Cb 0.05 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1m58 h LEU 48 CO 0.00 0.81 -0.41 0.00 -0.34 0.00 0.00 178.44 178.50 1m58 n LYS 50 N -0.91 2.79 0.00 0.00 4.76 0.22 -3.33 118.16 121.70 1m58 n LYS 50 Ca 0.15 -3.45 0.00 0.00 -2.87 0.00 0.00 58.31 52.14 1m58 n LYS 50 Cb 0.74 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 1m58 n LYS 50 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1m58 n ASN 51 N -0.79 0.26 -4.07 4.39 0.23 -1.26 -5.01 115.26 109.01 1m58 n ASN 51 Ca 0.59 -0.79 -0.12 0.00 -0.53 0.00 0.00 54.58 53.73 1m58 n ASN 51 Cb 0.56 0.09 -0.11 0.00 -2.08 0.00 0.00 39.78 38.24 1m58 n ASN 51 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1m58 s ILE 52 N -0.09 0.51 -0.05 1.53 1.01 -1.26 -5.07 121.20 117.78 1m58 s ILE 52 Ca 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 60.65 59.38 1m58 s ILE 52 Cb 0.00 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1m58 s ILE 52 CO 0.00 -0.50 -0.06 -0.38 0.00 0.00 0.00 174.94 173.99 1m58 n ILE 53 N 1.16 0.28 -0.57 2.92 5.41 -1.26 -1.25 119.36 126.05 1m58 n ILE 53 Ca -0.21 -0.07 -0.26 0.00 1.00 0.00 0.00 62.75 63.21 1m58 n ILE 53 Cb 0.56 -1.54 0.24 0.00 -0.71 0.00 0.00 39.64 38.19 1m58 n ILE 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1m58 n VAL 54 N -3.21 0.00 -2.60 1.39 0.24 -1.26 0.57 118.33 113.46 1m58 n VAL 54 Ca -0.10 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 1m58 n VAL 54 Cb 0.57 -1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.89 1m58 n VAL 54 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1m58 s SER 55 N -3.49 7.13 0.31 -1.34 0.15 -1.26 -3.95 113.70 111.25 1m58 s SER 55 Ca 0.60 1.58 -0.07 0.00 0.70 0.00 0.00 55.95 58.76 1m58 s SER 55 Cb -0.08 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1m58 s SER 55 CO 0.48 -0.57 0.50 -0.54 1.20 0.00 0.00 173.24 174.32 1m58 s LYS 56 N 2.53 1.81 -0.28 5.44 1.02 -0.87 -4.97 119.74 124.42 1m58 s LYS 56 Ca 0.50 -1.55 0.03 0.00 0.02 0.00 0.00 55.97 54.96 1m58 s LYS 56 Cb -0.19 0.47 0.07 0.00 -0.52 0.00 0.00 37.83 37.66 1m58 s LYS 56 CO 0.15 -0.76 -0.06 -0.80 -0.92 0.00 0.00 175.35 172.96 1m58 s ASN 57 N -3.14 4.57 -0.14 2.83 0.01 -1.26 -0.17 114.94 117.62 1m58 s ASN 57 Ca 0.26 -1.60 -0.08 0.00 -0.71 0.00 0.00 52.86 50.73 1m58 s ASN 57 Cb -0.01 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 1m58 s ASN 57 CO 0.15 -0.25 0.13 -0.69 -1.51 0.00 0.00 177.10 174.94 1m58 s VAL 58 N 1.05 5.45 -0.23 1.60 1.01 -0.52 -4.95 120.40 123.81 1m58 s VAL 58 Ca -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1m58 s VAL 58 Cb -0.20 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1m58 s VAL 58 CO -0.06 0.57 -0.09 -0.22 0.00 0.00 0.00 175.10 175.30 1m58 s LEU 59 N -0.62 2.89 0.20 3.92 0.20 -1.26 -2.07 118.68 121.93 1m58 s LEU 59 Ca 0.13 -0.74 -0.32 0.00 0.69 0.00 0.00 54.13 53.89 1m58 s LEU 59 Cb -0.12 -1.63 -0.12 0.00 -0.43 0.00 0.00 46.19 43.89 1m58 s LEU 59 CO 0.02 -0.08 1.75 -0.94 -0.29 0.00 0.00 176.35 176.81 1m58 s SER 60 N 1.34 6.38 0.10 3.68 1.04 -1.08 -4.89 113.70 120.27 1m58 s SER 60 Ca 0.02 2.86 0.02 0.00 0.48 0.00 0.00 55.95 59.33 1m58 s SER 60 Cb -0.15 -2.59 -0.23 0.00 0.10 0.00 0.00 66.02 63.14 1m58 s SER 60 CO -0.06 -0.98 1.23 0.74 0.98 0.00 0.00 173.24 175.14 1m58 h THR 61 N 3.94 1.61 -3.03 2.02 2.02 -1.98 -3.41 112.91 114.08 1m58 h THR 61 Ca -0.44 -3.22 -0.61 0.00 0.77 0.00 0.00 66.41 62.91 1m58 h THR 61 Cb 1.20 2.87 -0.07 0.00 -1.74 0.00 0.00 68.15 70.42 1m58 h THR 61 CO 0.96 0.93 -0.26 -1.81 0.37 0.00 0.00 175.52 175.71 1m58 s ASP 62 N -6.92 6.67 0.23 4.18 1.11 -1.26 -4.99 116.67 115.69 1m58 s ASP 62 Ca -0.01 0.79 -0.30 0.00 0.18 0.00 0.00 52.55 53.21 1m58 s ASP 62 Cb 0.09 -2.21 -0.09 0.00 1.07 0.00 0.00 42.92 41.77 1m58 s ASP 62 CO 0.85 0.27 1.27 -1.61 1.18 0.00 0.00 175.17 177.13 1m58 s GLU 63 N -0.65 4.43 0.15 8.23 2.02 -1.26 -4.57 118.70 127.06 1m58 s GLU 63 Ca 0.21 2.03 0.10 0.00 0.02 0.00 0.00 54.97 57.33 1m58 s GLU 63 Cb -0.15 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1m58 s GLU 63 CO 0.10 -0.16 -0.18 -0.06 0.02 0.00 0.00 175.26 174.98 1m58 s PHE 64 N -0.28 2.48 0.13 1.61 0.40 -0.90 -4.68 117.98 116.75 1m58 s PHE 64 Ca 0.53 -0.29 -0.31 0.00 -0.60 0.00 0.00 56.93 56.26 1m58 s PHE 64 Cb -0.36 -1.27 -0.09 0.00 0.51 0.00 0.00 43.02 41.81 1m58 s PHE 64 CO 0.41 0.44 1.48 0.71 0.70 0.00 0.00 175.22 178.96 1m58 s TYR 65 N -1.42 3.10 -0.15 0.36 2.02 -1.26 -0.82 117.35 119.19 1m58 s TYR 65 Ca 0.20 0.77 -0.00 0.00 -0.37 0.00 0.00 57.07 57.67 1m58 s TYR 65 Cb -0.09 -3.80 0.03 0.00 -0.40 0.00 0.00 41.96 37.70 1m58 s TYR 65 CO 0.11 -2.90 -0.08 -0.51 -1.57 0.00 0.00 175.55 170.60 1m58 s LEU 66 N 1.27 1.58 -0.34 -1.29 1.43 0.48 -2.64 118.68 119.17 1m58 s LEU 66 Ca 0.67 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1m58 s LEU 66 Cb -0.40 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 44.91 1m58 s LEU 66 CO 0.31 -0.15 0.10 -0.55 0.23 0.00 0.00 176.35 176.29 1m58 s SER 67 N 1.61 5.25 0.17 2.29 0.15 0.06 -2.42 113.70 120.81 1m58 s SER 67 Ca 0.02 -1.24 0.10 0.00 0.70 0.00 0.00 55.95 55.54 1m58 s SER 67 Cb -0.14 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1m58 s SER 67 CO -0.08 -0.34 -0.22 1.51 1.20 0.00 0.00 173.24 175.31 1m58 s ASP 68 N 1.44 3.12 0.12 5.45 1.47 -0.95 -0.91 116.67 126.42 1m58 s ASP 68 Ca -0.02 -0.84 0.02 0.00 1.18 0.00 0.00 52.55 52.90 1m58 s ASP 68 Cb -0.20 -0.21 -0.04 0.00 -0.34 0.00 0.00 42.92 42.13 1m58 s ASP 68 CO 0.02 0.08 0.21 0.00 0.68 0.00 0.00 175.17 176.16 1m58 s ASN 70 N -2.92 0.04 -0.63 0.00 0.01 -0.68 -2.29 114.94 108.47 1m58 s ASN 70 Ca 0.33 0.00 -0.26 0.00 -0.71 0.00 0.00 52.86 52.22 1m58 s ASN 70 Cb -0.12 -0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.50 1m58 s ASN 70 CO 0.27 -0.02 1.92 -0.60 -1.51 0.00 0.00 177.10 177.15 1m58 s ARG 71 N 0.20 2.57 -0.09 -0.60 6.06 0.67 -2.67 118.95 125.08 1m58 s ARG 71 Ca -0.02 0.58 0.11 0.00 -2.50 0.00 0.00 55.73 53.90 1m58 s ARG 71 Cb -0.03 -4.47 -0.15 0.00 0.06 0.00 0.00 34.95 30.36 1m58 s ARG 71 CO -0.01 -2.86 0.10 0.44 -2.50 0.00 0.00 175.30 170.47 1m58 n ILE 72 N 7.35 0.59 -3.15 4.11 -5.35 -1.26 -4.95 119.36 116.70 1m58 n ILE 72 Ca 0.24 -0.44 0.04 0.00 -0.27 0.00 0.00 62.75 62.32 1m58 n ILE 72 Cb 0.52 -0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 37.95 1m58 n ILE 72 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1m58 s LYS 73 N -2.42 0.45 1.00 6.28 2.36 -1.11 -5.07 119.74 121.22 1m58 s LYS 73 Ca -0.05 0.50 -0.14 0.00 -2.55 0.00 0.00 55.97 53.72 1m58 s LYS 73 Cb 0.05 0.24 0.06 0.00 -1.05 0.00 0.00 37.83 37.13 1m58 s LYS 73 CO 0.48 -0.80 0.34 1.47 1.55 0.00 0.00 175.35 178.39 1m58 n LEU 74 N 5.35 -0.67 -0.01 5.43 -0.00 -1.26 -3.09 117.00 122.75 1m58 n LEU 74 Ca 0.05 0.20 -0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1m58 n LEU 74 Cb 0.55 -1.15 -0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1m58 n LEU 74 CO -0.08 -3.44 -0.02 1.55 -0.00 0.00 0.00 177.39 175.41 1m58 h PRO 75 N -1.73 0.00 -0.63 1.47 0.13 -2.01 -3.41 132.00 125.81 1m58 h PRO 75 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 1m58 h PRO 75 Cb 1.30 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1m58 h PRO 75 CO 0.36 0.00 0.22 0.00 -0.23 0.00 0.00 178.00 178.35 1m58 s HIS 77 N -3.06 3.30 0.53 0.00 5.04 -1.18 -4.32 115.29 115.60 1m58 s HIS 77 Ca 0.52 -1.38 0.01 0.00 -1.54 0.00 0.00 55.06 52.66 1m58 s HIS 77 Cb 0.43 -3.92 0.01 0.00 0.04 0.00 0.00 32.58 29.13 1m58 s HIS 77 CO 0.10 -1.14 0.08 0.71 -2.34 0.00 0.00 174.74 172.14 1m58 s TYR 78 N 1.66 1.73 0.26 3.88 2.02 -1.26 -2.76 117.35 122.88 1m58 s TYR 78 Ca 0.12 -0.97 0.11 0.00 -0.37 0.00 0.00 57.07 55.96 1m58 s TYR 78 Cb -0.21 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 1m58 s TYR 78 CO -0.00 0.07 -0.19 0.21 -1.57 0.00 0.00 175.55 174.07 1m58 s LYS 79 N -3.98 1.60 -0.01 -0.62 2.36 -1.09 -4.87 119.74 113.13 1m58 s LYS 79 Ca 0.07 -1.73 0.08 0.00 -2.55 0.00 0.00 55.97 51.85 1m58 s LYS 79 Cb -0.00 -1.62 -0.02 0.00 -1.05 0.00 0.00 37.83 35.14 1m58 s LYS 79 CO 0.04 0.30 -0.26 -1.17 1.55 0.00 0.00 175.35 175.81 1m58 s LEU 80 N -3.46 2.06 -0.27 5.43 2.96 -1.26 -1.69 118.68 122.46 1m58 s LEU 80 Ca 0.28 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1m58 s LEU 80 Cb -0.04 -1.31 0.07 0.00 0.50 0.00 0.00 46.19 45.41 1m58 s LEU 80 CO 0.13 0.31 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.70 1m58 s LYS 81 N -0.68 1.54 -0.26 1.98 2.47 -0.16 -4.95 119.74 119.68 1m58 s LYS 81 Ca 0.10 -1.19 -0.06 0.00 -1.56 0.00 0.00 55.97 53.26 1m58 s LYS 81 Cb -0.10 -2.65 -0.01 0.00 -1.46 0.00 0.00 37.83 33.61 1m58 s LYS 81 CO -0.01 -0.70 0.04 0.21 0.16 0.00 0.00 175.35 175.05 1m58 s LYS 82 N 1.31 3.31 0.22 4.03 2.20 -1.25 -2.25 119.74 127.31 1m58 s LYS 82 Ca -0.01 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 54.70 1m58 s LYS 82 Cb -0.19 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1m58 s LYS 82 CO -0.09 -0.31 0.62 -1.12 -0.36 0.00 0.00 175.35 174.09 1m58 s SER 83 N 1.52 -0.33 -0.20 1.43 0.01 -1.02 -4.95 113.70 110.17 1m58 s SER 83 Ca 0.04 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 56.68 1m58 s SER 83 Cb -0.16 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1m58 s SER 83 CO 0.01 -1.15 0.53 -0.44 0.41 0.00 0.00 173.24 172.60 1m58 s SER 84 N -2.87 6.58 -0.14 2.44 0.01 -1.26 -0.38 113.70 118.08 1m58 s SER 84 Ca 0.09 0.70 -0.23 0.00 1.31 0.00 0.00 55.95 57.82 1m58 s SER 84 Cb -0.03 -2.30 0.06 0.00 0.21 0.00 0.00 66.02 63.96 1m58 s SER 84 CO -0.01 -0.19 0.57 0.21 0.41 0.00 0.00 173.24 174.23 1m58 s ASN 85 N 1.16 -0.56 0.58 2.44 3.04 0.00 -4.78 114.94 116.82 1m58 s ASN 85 Ca 0.25 0.88 -0.14 0.00 0.04 0.00 0.00 52.86 53.89 1m58 s ASN 85 Cb -0.15 0.87 -0.05 0.00 -1.54 0.00 0.00 41.25 40.38 1m58 s ASN 85 CO 0.10 -0.36 1.01 0.42 -3.04 0.00 0.00 177.10 175.23 1m58 s THR 86 N -0.37 4.52 -0.01 -5.21 -4.23 -1.26 -2.11 115.64 106.97 1m58 s THR 86 Ca -0.05 1.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.52 1m58 s THR 86 Cb -0.03 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 1m58 s THR 86 CO 0.04 -0.88 -0.15 0.27 -0.54 0.00 0.00 174.62 173.35 1m58 s ILE 87 N -2.88 1.22 -0.61 2.99 -0.00 -1.26 -2.92 121.20 117.74 1m58 s ILE 87 Ca 0.58 -0.69 -0.14 0.00 -0.00 0.00 0.00 60.65 60.39 1m58 s ILE 87 Cb -0.11 -1.02 0.15 0.00 -0.00 0.00 0.00 42.46 41.48 1m58 s ILE 87 CO 0.43 0.32 0.55 0.00 -0.00 0.00 0.00 174.94 176.24 1m58 s ILE 89 N 1.11 2.52 -0.15 0.00 -4.36 -0.88 0.04 121.20 119.48 1m58 s ILE 89 Ca 0.08 -1.51 -0.15 0.00 -0.26 0.00 0.00 60.65 58.80 1m58 s ILE 89 Cb -0.24 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.43 1m58 s ILE 89 CO -0.01 -0.01 0.37 -0.89 0.24 0.00 0.00 174.94 174.64 1m58 s THR 90 N -2.53 5.26 0.13 8.37 2.01 0.15 -1.44 115.64 127.59 1m58 s THR 90 Ca 0.45 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 63.13 1m58 s THR 90 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1m58 s THR 90 CO 0.25 0.35 0.32 0.00 -0.69 0.00 0.00 174.62 174.86 1m58 s GLU 92 N -2.81 0.07 -1.08 0.00 -6.30 -0.24 -2.04 118.70 106.30 1m58 s GLU 92 Ca 0.38 0.12 -0.05 0.00 -2.50 0.00 0.00 54.97 52.92 1m58 s GLU 92 Cb -0.12 0.02 0.01 0.00 0.00 0.00 0.00 34.13 34.03 1m58 s GLU 92 CO 0.27 -0.01 0.72 -1.71 0.02 0.00 0.00 175.26 174.54 1m58 n ASN 93 N 2.90 -5.18 -0.52 -1.70 5.15 0.19 -2.10 115.26 113.99 1m58 n ASN 93 Ca -0.16 -0.33 -0.07 0.00 -0.60 0.00 0.00 54.58 53.42 1m58 n ASN 93 Cb 0.56 -3.88 -0.03 0.00 -0.53 0.00 0.00 39.78 35.90 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1m58 n LYS 94 N -3.62 -1.30 -3.73 1.20 4.01 -0.38 -4.96 118.16 109.38 1m58 n LYS 94 Ca -0.03 0.67 -0.14 0.00 -0.51 0.00 0.00 58.31 58.30 1m58 n LYS 94 Cb 0.56 -4.80 -0.09 0.00 -0.51 0.00 0.00 35.03 30.20 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1m58 s LEU 95 N -1.55 0.62 0.36 -0.35 0.05 -0.89 -4.00 118.68 112.91 1m58 s LEU 95 Ca 0.00 0.36 -0.20 0.00 0.05 0.00 0.00 54.13 54.34 1m58 s LEU 95 Cb 0.00 1.40 -0.10 0.00 -2.05 0.00 0.00 46.19 45.44 1m58 s LEU 95 CO 0.00 -0.36 0.87 -2.16 -0.55 0.00 0.00 176.35 174.15 1m58 s PRO 96 N -0.83 4.25 0.00 1.48 0.04 -1.26 -1.07 135.00 137.61 1m58 s PRO 96 Ca -0.09 1.03 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1m58 s PRO 96 Cb -0.04 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1m58 s PRO 96 CO 0.04 0.12 0.47 1.33 0.04 0.00 0.00 177.00 179.00 1m58 n VAL 97 N -0.19 0.00 -3.56 -0.36 0.24 -0.92 -3.98 118.33 109.56 1m58 n VAL 97 Ca 0.04 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.19 1m58 n VAL 97 Cb 0.53 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 33.60 1m58 n VAL 97 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1m58 s HIS 98 N 0.00 -0.49 -0.19 6.34 3.76 -1.25 -4.78 115.29 118.68 1m58 s HIS 98 Ca 0.00 0.65 -0.04 0.00 -0.15 0.00 0.00 55.06 55.52 1m58 s HIS 98 Cb 0.00 0.36 -0.02 0.00 1.11 0.00 0.00 32.58 34.03 1m58 s HIS 98 CO 0.00 -0.63 -0.04 -0.59 -0.85 0.00 0.00 174.74 172.64 1m58 s PHE 99 N -2.07 2.98 -0.21 1.40 -0.71 -1.26 -0.67 117.98 117.44 1m58 s PHE 99 Ca -0.07 -0.63 -0.17 0.00 -1.04 0.00 0.00 56.93 55.02 1m58 s PHE 99 Cb -0.01 -2.05 -0.13 0.00 -1.21 0.00 0.00 43.02 39.62 1m58 s PHE 99 CO 0.02 -0.32 -0.03 0.28 -1.34 0.00 0.00 175.22 173.82 1m58 n VAL 100 N 4.27 1.51 -2.84 -2.49 0.31 0.11 -4.92 118.33 114.27 1m58 n VAL 100 Ca -0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1m58 n VAL 100 Cb 0.52 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1m58 n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m58 n ALA 101 N -3.72 0.00 -1.72 3.52 0.00 -0.80 -4.95 120.51 112.85 1m58 n ALA 101 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1m58 n ALA 101 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1m58 n ALA 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m58 n VAL 102 N 0.00 0.00 -0.35 0.00 0.24 -1.26 -0.80 118.33 116.17 1m58 n VAL 102 Ca 0.00 0.00 0.37 0.00 -2.04 0.00 0.00 64.34 62.67 1m58 n VAL 102 Cb 0.00 -0.64 0.69 0.00 -1.47 0.00 0.00 33.84 32.41 1m58 n VAL 102 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1m58 h GLU 103 N 0.00 0.00 -4.69 7.34 4.81 -1.88 -3.30 114.58 116.86 1m58 h GLU 103 Ca 0.00 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 1m58 h GLU 103 Cb 0.00 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.10 1m58 h GLU 103 CO 0.00 0.00 -0.60 -1.21 -0.73 0.00 0.00 179.01 176.47 1m58 s GLU 104 N -4.74 2.70 0.12 1.92 0.41 -1.26 -4.95 118.70 112.90 1m58 s GLU 104 Ca -0.04 -1.13 -0.10 0.00 -0.41 0.00 0.00 54.97 53.29 1m58 s GLU 104 Cb 0.21 -3.46 -0.06 0.00 -1.78 0.00 0.00 34.13 29.03 1m58 s GLU 104 CO 0.70 -0.63 0.45 0.00 -0.49 0.00 0.00 175.26 175.29